# generated using pymatgen
data_CrReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54674461
_cell_length_b   6.84629201
_cell_length_c   7.50037925
_cell_angle_alpha   62.84493299
_cell_angle_beta   64.12404717
_cell_angle_gamma   90.00046991
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReO4
_chemical_formula_sum   'Cr4 Re4 O16'
_cell_volume   260.66586227
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.87505000  0.37505200  0.24986700  1.0
  Cr  Cr1  1  0.62426900  0.12412300  0.75160900  1.0
  Cr  Cr2  1  0.37494700  0.87516200  0.24991700  1.0
  Cr  Cr3  1  0.12401600  0.62406100  0.75167100  1.0
  Re  Re4  1  0.01148000  0.01153800  0.97705400  1.0
  Re  Re5  1  0.51145600  0.51154500  0.97705300  1.0
  Re  Re6  1  0.24087900  0.24083800  0.51838900  1.0
  Re  Re7  1  0.74075300  0.74086400  0.51837600  1.0
  O  O8  1  0.37517200  0.18802600  0.24958400  1.0
  O  O9  1  0.87522800  0.68799700  0.24961100  1.0
  O  O10  1  0.62524700  0.40996800  0.74957200  1.0
  O  O11  1  0.12522300  0.90997300  0.74954700  1.0
  O  O12  1  0.37517900  0.56232700  0.24957400  1.0
  O  O13  1  0.87524400  0.06232300  0.24959300  1.0
  O  O14  1  0.62527900  0.84044300  0.74956400  1.0
  O  O15  1  0.12524000  0.34046600  0.74954500  1.0
  O  O16  1  0.29424100  0.00120600  0.99757900  1.0
  O  O17  1  0.79409900  0.50113800  0.99772100  1.0
  O  O18  1  0.54206200  0.24767000  0.50474400  1.0
  O  O19  1  0.04202900  0.74762600  0.50467900  1.0
  O  O20  1  0.70820200  0.00117200  0.99764900  1.0
  O  O21  1  0.20817900  0.50121300  0.99759600  1.0
  O  O22  1  0.95329600  0.24767400  0.50475100  1.0
  O  O23  1  0.45323000  0.74759500  0.50475700  1.0